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	hartrees
Energy at 0K	-27597.531067
Energy at 298.15K
HF Energy	-27597.315106
Nuclear repulsion energy	2774.876552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	183	183	0.00	17.86	0.00	0.00
2	E	82	82	0.00	2.76	0.75	0.86
2	E	82	82	0.00	2.76	0.75	0.86
3	T₂	591	591	37.71	14.31	0.75	0.86
3	T₂	591	591	37.71	14.31	0.75	0.86
3	T₂	591	591	37.71	14.31	0.75	0.86
4	T₂	121	121	0.05	3.87	0.75	0.86
4	T₂	121	121	0.05	3.87	0.75	0.86
4	T₂	121	121	0.05	3.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
I2	1.276	1.276	1.276
I3	-1.276	-1.276	1.276
I4	-1.276	1.276	-1.276
I5	1.276	-1.276	-1.276

	C1	I2	I3	I4	I5
C1		2.2108	2.2108	2.2108	2.2108
I2	2.2108		3.6102	3.6102	3.6102
I3	2.2108	3.6102		3.6102	3.6102
I4	2.2108	3.6102	3.6102		3.6102
I5	2.2108	3.6102	3.6102	3.6102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	109.471	I2	C1	I4	109.471
I2	C1	I5	109.471	I3	C1	I4	109.471
I3	C1	I5	109.471	I4	C1	I5	109.471

All results from a given calculation for CI₄ (tetraiodomethane)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CI4 (tetraiodomethane)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CI₄ (tetraiodomethane)